Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKTIMASSLAVALGVTGYAAGTGHQAHAAEVNVDQAHLVDLAHNHQDQLNAAPIKDGAYDIHFVKDGFQYNFTSNGTTWSWSYEAANGQTAGFSNVAGADYTTSYNQGSDVQSVSYNAQSSNSNVEAVSAPTYHNYSTSTTSSSVRLSNGNTAGATGSSAAQIMAQRTGVSASTWAAIIARESN-----GQVNA---YNPSGASGLFQTMP-GWGP--TNTVDQQINAAVKAYKAQGLGAWGF |
3GXR Chain:A ((45-123)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------KYKSFINNVAKKHVVDPAVIAAIISRESRAGNVIFNTTPPGWGDNYNGFGLMQVDKRYHEPRGAWNSEEHIDQATGILV--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GXR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -14091 for 434 contacts (-32.5/contact) +
2D Compatibility (PS) -7799 + (NN) -4688 + (LL) 7704
1D Compatibility (HY) -800 + (ID) 800
Total energy: -20474.0 ( -47.18 by residue)
QMean score : 0.551
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